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Elizabeth Claire Brunk

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Elizabeth Claire Brunk

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Genetic-Algorithm-Based Optimization of a Peptidic Scaffold for Sequestration and Hydration of CO

Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

Lessons from Nature: Computational Design of Biomimetic Compounds and Processes

Computational, Structural, and Kinetic Evidence That Vibrio vulnificus FrsA Is Not a Cofactor-Independent Pyruvate Decarboxylase

Directed evolution of the suicide protein O⁶-alkylguanine-DNA alkyltransferase for increased reactivity results in an alkylated protein with exceptional stability

Integrating computational methods to retrofit enzymes to synthetic pathways

Role of Environment for Catalysis of the DNA Repair Enzyme MutY

Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems